[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-[[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid

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Properties Simple | Detailed

Formula C11H18N5O13P3
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 521.208 g·mol−1
Heat of Formation -2946.6 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 496.81 Å 3
Surface Area 389.81 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
InChIKey KFWYGBNFPGJUJO-KQYNXXCUSA-P
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